methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate

C14H22N2O2 — CID 103258897

IUPACmethyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate
SMILESCCCCC(N[C@@H](C)c1ccncc1)C(=O)OC
InChIInChI=1S/C14H22N2O2/c1-4-5-6-13(14(17)18-3)16-11(2)12-7-9-15-10-8-12/h7-11,13,16H,4-6H2,1-3H3/t11-,13?/m0/s1
InChIKeyBLKCWWZQWINCOH-AMGKYWFPSA-N
MW250.34 g/mol
LogP2.46
Rot. Bonds7

About methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate

methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate (PubChem CID 103258897) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate
PubChem CID103258897
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate
SMILESCCCCC(N[C@@H](C)c1ccncc1)C(=O)OC
InChIInChI=1S/C14H22N2O2/c1-4-5-6-13(14(17)18-3)16-11(2)12-7-9-15-10-8-12/h7-11,13,16H,4-6H2,1-3H3/t11-,13?/m0/s1
InChIKeyBLKCWWZQWINCOH-AMGKYWFPSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanoate
CID 103980274
methyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]hexanoate
CID 113341980
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
CID 103244944
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
CID 104928180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate?
The IUPAC name of methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate (CID 103258897) is methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate.
What is the SMILES notation for methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate?
The canonical SMILES for methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate is CCCCC(N[C@@H](C)c1ccncc1)C(=O)OC.
What is the InChIKey of methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate?
The InChIKey is BLKCWWZQWINCOH-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-13(14(17)18-3)16-11(2)12-7-9-15-10-8-12/h7-11,13,16H,4-6H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate?
methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate has a molecular weight of 250.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate is sourced from PubChem (CID 103258897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).